5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid

C10H17N3O3 — CID 62060461

IUPAC5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1CCOC(C)C
InChIInChI=1S/C10H17N3O3/c1-4-8-9(10(14)15)11-12-13(8)5-6-16-7(2)3/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWIMVUEDYASNBAT-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.96
Rot. Bonds6

About 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid

5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid (PubChem CID 62060461) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid
PubChem CID62060461
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1CCOC(C)C
InChIInChI=1S/C10H17N3O3/c1-4-8-9(10(14)15)11-12-13(8)5-6-16-7(2)3/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWIMVUEDYASNBAT-UHFFFAOYSA-N
XLogP0.96
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid (CID 62060461) is 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1CCOC(C)C.
What is the InChIKey of 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid?
The InChIKey is WIMVUEDYASNBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-8-9(10(14)15)11-12-13(8)5-6-16-7(2)3/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid?
5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 62060461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).